Geometry & MOs

Info

ID:	125972
PubChem CID:	50946193
Reduced:	SO2N5C18H25 (1)
Stoich.:	AB2C5D18E25 (1)
Weight, g/mol:	397.16848
ΔH_f, kcal/mol:	-34.71
Dipole, Da:	3.67
IP(EA), eV:	-8.5(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-(3-methylsulfanylphenyl)urea

Drug info:

PubChemData

Smile

CCNC1=NC(=CC(=N1)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C

DOS

IR

Vibrations